diethyl-(3-nitrophenyl)-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]azanium

Systemtic Name: diethyl-(3-nitrophenyl)-[2-(3-nitro-4-phenylmethoxy-phenyl)ethyl]azanium Openeye Name: 2-(4-benzyloxy-3-nitro-phenyl)ethyl-diethyl-(3-nitrophenyl)ammonium CAS Name: diethyl-(3-nitrophenyl)-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]ammonium IUPAC Name: diethyl-(3-nitrophenyl)-[2-(3-nitro-4-phenylmethoxyphenyl)ethyl]azanium Traditional Name: 2-(4-benzoxy-3-nitro-phenyl)ethyl-diethyl-(3-nitrophenyl)ammonium Formula: C25H28N3O5+ MolecularWeight: 450.50692

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC[N+](CC)(CCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N3O5/c1-3-28(4-2,23-12-8-11-22(18-23)26(29)30)16-15-20-13-14-25(24(17-20)27(31)32)33-19-21-9-6-5-7-10-21/h5-14,17-18H,3-4,15-16,19H2,1-2H3/q+1